5-[5-chloranyl-2-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-phenyl]-1,2-oxazole

Systemtic Name: 5-[5-chloranyl-2-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-phenyl]-1,2-oxazole Openeye Name: 5-[5-chloro-2-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-phenyl]isoxazole CAS Name: 5-[5-chloro-2-[[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]oxy]phenyl]isoxazole IUPAC Name: 5-[5-chloro-2-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxyphenyl]-1,2-oxazole Traditional Name: 5-[5-chloro-2-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]oxy-phenyl]isoxazole Formula: C18H17ClN6O4 MolecularWeight: 416.81838

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)OC3=C(C=C(C=C3)Cl)C4=CC=NO4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)OC3=C(C=C(C=C3)Cl)C4=CC=NO4)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN6O4/c1-23-6-8-24(9-7-23)17-16(25(26)27)18(21-11-20-17)28-14-3-2-12(19)10-13(14)15-4-5-22-29-15/h2-5,10-11H,6-9H2,1H3